REMARK  Name = BDB064703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.528  -0.459  -0.042  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -3.155  -0.433  -0.339  0.00  0.00    +0.147 A 
ATOM      3  N   LIG    1       -2.333  -1.294  -1.042  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -1.138  -0.744  -0.978  0.00  0.00    +0.201 A 
ATOM      5  N   LIG    1       -1.157   0.435  -0.284  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -2.439   0.655   0.132  0.00  0.00    +0.165 A 
ATOM      7  N   LIG    1       -2.907   1.695   0.842  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -4.233   1.566   1.055  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1       -5.058   0.573   0.654  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -5.375  -1.483  -0.447  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1       -6.340  -1.186  -0.490  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -5.010  -2.024  -1.222  0.00  0.00    +0.144 HD
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1       -0.026   1.310  -0.047  0.00  0.00    +0.165 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.656   1.018   1.287  0.00  0.00    +0.250 C 
BRANCH  14  15
ATOM     15  O   LIG    1        1.328  -0.244   1.266  0.00  0.00    -0.490 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.574  -0.333   0.714  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        3.337   0.722   0.211  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        4.603   0.474  -0.333  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        5.106  -0.824  -0.372  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        6.662  -1.120  -1.043  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        4.354  -1.882   0.129  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.091  -1.632   0.671  0.00  0.00    +0.047 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 5